{"id":"https://openalex.org/W2015099210","doi":"https://doi.org/10.1016/s0097-8485(01)00128-0","title":"Application of novel atom-type AI topological indices to QSPR studies of alkanes","display_name":"Application of novel atom-type AI topological indices to QSPR studies of alkanes","publication_year":2002,"publication_date":"2002-06-01","ids":{"openalex":"https://openalex.org/W2015099210","doi":"https://doi.org/10.1016/s0097-8485(01)00128-0","mag":"2015099210","pmid":"https://pubmed.ncbi.nlm.nih.gov/12139419"},"language":"en","primary_location":{"id":"doi:10.1016/s0097-8485(01)00128-0","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(01)00128-0","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers &amp; Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5086420358","display_name":"Biye Ren","orcid":"https://orcid.org/0000-0003-0131-8750"},"institutions":[{"id":"https://openalex.org/I90610280","display_name":"South China University of Technology","ror":"https://ror.org/0530pts50","country_code":"CN","type":"education","lineage":["https://openalex.org/I90610280"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Biye Ren","raw_affiliation_strings":["Research Institute of Materials Science, South China University of Technology, Guangzhou, People's Republic of China. renbiye@163.net","Research Institute of Materials Science, South China University of Technology, Guangzhou 510640, People's Republic of China"],"affiliations":[{"raw_affiliation_string":"Research Institute of Materials Science, South China University of Technology, Guangzhou, People's Republic of China. renbiye@163.net","institution_ids":["https://openalex.org/I90610280"]},{"raw_affiliation_string":"Research Institute of Materials Science, South China University of Technology, Guangzhou 510640, People's Republic of China","institution_ids":["https://openalex.org/I90610280"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5086420358"],"corresponding_institution_ids":["https://openalex.org/I90610280"],"apc_list":null,"apc_paid":null,"fwci":1.3955,"has_fulltext":false,"cited_by_count":41,"citation_normalized_percentile":{"value":0.79937378,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"26","issue":"4","first_page":"357","last_page":"369"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":0.9948999881744385,"subfield":{"id":"https://openalex.org/subfields/2608","display_name":"Geometry and Topology"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.9944999814033508,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.7833307385444641},{"id":"https://openalex.org/keywords/van-der-waals-force","display_name":"van der Waals force","score":0.7103870511054993},{"id":"https://openalex.org/keywords/acentric-factor","display_name":"Acentric factor","score":0.6107826828956604},{"id":"https://openalex.org/keywords/topological-index","display_name":"Topological index","score":0.584374725818634},{"id":"https://openalex.org/keywords/linear-regression","display_name":"Linear regression","score":0.5731103420257568},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5710822939872742},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.5527523756027222},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.5429657697677612},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.5243654251098633},{"id":"https://openalex.org/keywords/molecular-descriptor","display_name":"Molecular descriptor","score":0.4353953003883362},{"id":"https://openalex.org/keywords/boiling-point","display_name":"Boiling point","score":0.42292121052742004},{"id":"https://openalex.org/keywords/mole-fraction","display_name":"Mole fraction","score":0.4183316230773926},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.38110822439193726},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.3107950985431671},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.19317293167114258},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.19170096516609192},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.18529340624809265},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.18052133917808533},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.13308444619178772}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.7833307385444641},{"id":"https://openalex.org/C126061179","wikidata":"https://www.wikidata.org/wiki/Q189627","display_name":"van der Waals force","level":3,"score":0.7103870511054993},{"id":"https://openalex.org/C163115403","wikidata":"https://www.wikidata.org/wiki/Q631815","display_name":"Acentric factor","level":2,"score":0.6107826828956604},{"id":"https://openalex.org/C159867001","wikidata":"https://www.wikidata.org/wiki/Q904942","display_name":"Topological index","level":2,"score":0.584374725818634},{"id":"https://openalex.org/C48921125","wikidata":"https://www.wikidata.org/wiki/Q10861030","display_name":"Linear regression","level":2,"score":0.5731103420257568},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5710822939872742},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.5527523756027222},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5429657697677612},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.5243654251098633},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.4353953003883362},{"id":"https://openalex.org/C188596812","wikidata":"https://www.wikidata.org/wiki/Q1003183","display_name":"Boiling point","level":2,"score":0.42292121052742004},{"id":"https://openalex.org/C36591836","wikidata":"https://www.wikidata.org/wiki/Q125264","display_name":"Mole fraction","level":2,"score":0.4183316230773926},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.38110822439193726},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3107950985431671},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.19317293167114258},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.19170096516609192},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.18529340624809265},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.18052133917808533},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.13308444619178772},{"id":"https://openalex.org/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1016/s0097-8485(01)00128-0","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(01)00128-0","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers &amp; Chemistry","raw_type":"journal-article"},{"id":"pmid:12139419","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12139419","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":35,"referenced_works":["https://openalex.org/W41980582","https://openalex.org/W1488799823","https://openalex.org/W1967877983","https://openalex.org/W1972156862","https://openalex.org/W1974293275","https://openalex.org/W1978202787","https://openalex.org/W1982985811","https://openalex.org/W1987749240","https://openalex.org/W2000462523","https://openalex.org/W2013372140","https://openalex.org/W2019083906","https://openalex.org/W2024813609","https://openalex.org/W2034027234","https://openalex.org/W2035221476","https://openalex.org/W2047880108","https://openalex.org/W2051765690","https://openalex.org/W2053771837","https://openalex.org/W2059598386","https://openalex.org/W2059796391","https://openalex.org/W2060907307","https://openalex.org/W2065854198","https://openalex.org/W2066210997","https://openalex.org/W2068042639","https://openalex.org/W2077156091","https://openalex.org/W2083651186","https://openalex.org/W2084377677","https://openalex.org/W2088365557","https://openalex.org/W2134473756","https://openalex.org/W2316786097","https://openalex.org/W2318794083","https://openalex.org/W2328889521","https://openalex.org/W2345995731","https://openalex.org/W2953013255","https://openalex.org/W4214777302","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W4381684678","https://openalex.org/W2039019258","https://openalex.org/W2366257766","https://openalex.org/W2000244863","https://openalex.org/W2074606701","https://openalex.org/W2759812531","https://openalex.org/W3159704956","https://openalex.org/W3119945067","https://openalex.org/W3204583884","https://openalex.org/W2113659966"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":7},{"year":2012,"cited_by_count":4}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
